3153-44-4

3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4) Raman

Product Name3-(4-METHOXYBENZOYL)PROPIONIC ACID

CAS 3153-44-4

Molecular FormulaC11H12O4

Molecular Weight208.21

InChIInChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey OMTDIBZSUZNVJK-UHFFFAOYSA-N

SmilesC1(C=CC(OC)=CC=1)C(=O)CCC(=O)O

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3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4) Raman
Mass

MS-IW-0079          
3-(p-methoxybenzoyl)propionic acid
C11H12O4            (Mass of molecular ion:    208)

   Source Temperature: 230 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      63.0       1.5
      64.0       2.4
      77.0       8.0
      92.0       5.3
     107.0       8.0
     135.0     100.0
     136.0       8.9
     190.0       1.3
     191.0       1.4
     208.0      16.4
     209.0       2.1

90 MHz in DMSO-d6

3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4) Raman

¹H NMR	89.56 MHz
C₁₁ H₁₂ O₄	0.041 g : 0.5 ml DMSO-d₆
3-(p-methoxybenzoyl)propionic acid

    Assign.     Shift(ppm)

      A            12.1
      B             7.967
      C             7.048
      D             3.845
      E             3.192
      F             2.561

     Hz     ppm     Int.

   1085.74  12.124     53
    721.09   8.052     38
    718.26   8.020    205
    716.21   7.997     78
    714.36   7.977     36
    713.96   7.972     37
    711.43   7.944     96
    709.28   7.920    247
    706.54   7.890     43
    638.28   7.127     42
    635.45   7.096    249
    633.50   7.074     88
    631.15   7.048     35
    630.76   7.043     35
    628.52   7.018     82
    626.56   6.996    203
    623.83   6.966     37
    349.61   3.904     31
    344.43   3.846   1000
    293.07   3.273     75
    292.77   3.269     75
    287.01   3.205    159
    280.37   3.131    125
    236.04   2.636    114
    229.49   2.563    173
    223.14   2.492    159

in DMSO-d6